N'-ethyl-2-thiophen-2-ylethanimidamide

C8H12N2S — CID 63181752

IUPACN'-ethyl-2-thiophen-2-ylethanimidamide
SMILESCC/N=C(\N)Cc1cccs1
InChIInChI=1S/C8H12N2S/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3,(H2,9,10)
InChIKeyOWAVJRLRVHKEJN-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.67
Rot. Bonds3

About N'-ethyl-2-thiophen-2-ylethanimidamide

N'-ethyl-2-thiophen-2-ylethanimidamide (PubChem CID 63181752) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is N'-ethyl-2-thiophen-2-ylethanimidamide.

Molecular Properties

Compound NameN'-ethyl-2-thiophen-2-ylethanimidamide
PubChem CID63181752
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC NameN'-ethyl-2-thiophen-2-ylethanimidamide
SMILESCC/N=C(\N)Cc1cccs1
InChIInChI=1S/C8H12N2S/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3,(H2,9,10)
InChIKeyOWAVJRLRVHKEJN-UHFFFAOYSA-N
XLogP1.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxyethyl)-2-thiophen-2-ylethanimidamide
CID 63181895
ethanamine;ethane;thiophen-2-ylmethanol
CID 143500491
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
1-butan-2-yl-2-(thiophen-2-ylmethyl)guanidine
CID 110919590
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111026478
1-thiophen-2-ylhexane-2,4-dione
CID 86201838
N'-(thiophen-2-ylmethyl)benzenecarboximidamide
CID 62049809
[(Z)-(1-amino-2-thiophen-2-ylethylidene)amino] 2-phenoxyacetate
CID 5348014
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
CID 76938616
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111026477
2-amino-1-ethyl-1-(thiophen-2-ylmethyl)guanidine
CID 77053951
3-amino-3-methyl-1-thiophen-2-ylhexan-2-one
CID 116556957

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-thiophen-2-ylethanimidamide?
The IUPAC name of N'-ethyl-2-thiophen-2-ylethanimidamide (CID 63181752) is N'-ethyl-2-thiophen-2-ylethanimidamide.
What is the SMILES notation for N'-ethyl-2-thiophen-2-ylethanimidamide?
The canonical SMILES for N'-ethyl-2-thiophen-2-ylethanimidamide is CC/N=C(\N)Cc1cccs1.
What is the InChIKey of N'-ethyl-2-thiophen-2-ylethanimidamide?
The InChIKey is OWAVJRLRVHKEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3,(H2,9,10).
What are the key properties of N'-ethyl-2-thiophen-2-ylethanimidamide?
N'-ethyl-2-thiophen-2-ylethanimidamide has a molecular weight of 168.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-thiophen-2-ylethanimidamide is sourced from PubChem (CID 63181752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).